1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride

C10H14ClNO2S — CID 5337630

IUPAC1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChIKeyPLENVCPOHVISCH-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.71
Rot. Bonds2

About 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride

1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride (PubChem CID 5337630) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
PubChem CID5337630
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChIKeyPLENVCPOHVISCH-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride (CID 5337630) is 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride is Cl.O=S1(=O)CCC(Nc2ccccc2)C1.
What is the InChIKey of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The InChIKey is PLENVCPOHVISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H.
What are the key properties of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride is sourced from PubChem (CID 5337630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).